CID 69884027

Schembl6745170

Structural Information

Molecular Formula
C4H6O2S
SMILES
C1=CSC(C1O)O
InChI
InChI=1S/C4H6O2S/c5-3-1-2-7-4(3)6/h1-6H
InChIKey
ZJGSTRSVRLYTFZ-UHFFFAOYSA-N
Compound name
2,3-dihydrothiophene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

118.00885 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.01613 120.0
[M+Na]+ 140.99807 128.7
[M-H]- 117.00157 121.7
[M+NH4]+ 136.04267 143.7
[M+K]+ 156.97201 126.8
[M+H-H2O]+ 101.00611 116.1
[M+HCOO]- 163.00705 137.6
[M+CH3COO]- 177.02270 160.5
[M+Na-2H]- 138.98352 122.5
[M]+ 118.00830 119.2
[M]- 118.00940 119.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe